SCHEMBL9318685

SCHEMBL9318685

CSc1ccc(C(Br)Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.50
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
ACACB O00763 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9774432 0.82 SLC6A4 (0.48) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL12214194 0.78 SLC6A4 (0.54) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL5180628 0.77 SLC6A4 (0.48) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL83839 0.76 ALDH1A1 (0.58) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL1764658 0.76 ESR1 (0.32) SLC6A2SLC6A3CYP1A2CYP3A4CYP2C9
SCHEMBL4556108 0.76 SLC6A4 (0.52) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL2553628 0.75 ALDH1A1 (0.48) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL16147584 0.74 SLC6A4 (0.50) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL6182478 0.74 SLC6A4 (0.50) SLC6A4ALDH1A1MAOASLC6A2SLC6A3
SCHEMBL15195981 0.74 SLC6A4 (0.50) SLC6A4ALDH1A1MAOASLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-214060378-U Refining plant is used in production of methyl sulfone benzaldehyde 山东昌邑家园化工有限公司 2021-08-27 CN disclosed
EP-0420941-B1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES ALLIED SIGNAL INC (US) 1994-01-12 EP disclosed
EP-0420941-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES. ALLIED SIGNAL INC (US) 1991-04-10 EP disclosed
WO-1989012623-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES ALLIED-SIGNAL INC. (US) 1989-12-28 WO disclosed